7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid

C15H18F3NO5S — CID 171800901

IUPAC7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCc1c(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc(C(=O)O)c2c1CCC2
InChIInChI=1S/C15H18F3NO5S/c1-8(19-25(22,23)15(16,17)18)7-24-13-6-12(14(20)21)11-5-3-4-10(11)9(13)2/h6,8,19H,3-5,7H2,1-2H3,(H,20,21)/t8-/m0/s1
InChIKeyVJAGDFJTXUTUDP-QMMMGPOBSA-N
MW381.37 g/mol
LogP2.39
Rot. Bonds6

About 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid

7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 171800901) has the molecular formula C15H18F3NO5S and a molecular weight of 381.37 g/mol. Its IUPAC name is 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID171800901
Molecular FormulaC15H18F3NO5S
Molecular Weight381.37 g/mol
Exact Mass381.09
IUPAC Name7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCc1c(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc(C(=O)O)c2c1CCC2
InChIInChI=1S/C15H18F3NO5S/c1-8(19-25(22,23)15(16,17)18)7-24-13-6-12(14(20)21)11-5-3-4-10(11)9(13)2/h6,8,19H,3-5,7H2,1-2H3,(H,20,21)/t8-/m0/s1
InChIKeyVJAGDFJTXUTUDP-QMMMGPOBSA-N
XLogP2.39
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]thiophene-3-carboxylic acid
CID 171534458
5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid
CID 170338068
2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
CID 175958010
6-(2-aminopropoxy)-N-cyclopropyl-7-methyl-2,3-dihydro-1H-indene-4-carboxamide
CID 171800882
3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43510409
2-chloro-N-(1-cyanocyclopropyl)-3-methyl-5-[2-(trifluoromethylsulfonylamino)propoxy]benzamide
CID 175305259
(4-methyl-2,3-dihydro-1H-inden-5-yl) trifluoromethanesulfonate
CID 143804560
3-(4-hydroxybutan-2-ylsulfamoyl)-4,5-dimethylbenzoic acid
CID 83176295
N-[(2S)-1-[(6-chloro-5-cyano-3-pyridinyl)oxy]propan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 175633075
2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
CID 175958012
3,4-dimethyl-5-(2,2,2-trifluoroethoxysulfamoyl)benzoic acid
CID 82712683
methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate
CID 19034158

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid (CID 171800901) is 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid is Cc1c(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc(C(=O)O)c2c1CCC2.
What is the InChIKey of 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is VJAGDFJTXUTUDP-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H18F3NO5S/c1-8(19-25(22,23)15(16,17)18)7-24-13-6-12(14(20)21)11-5-3-4-10(11)9(13)2/h6,8,19H,3-5,7H2,1-2H3,(H,20,21)/t8-/m0/s1.
What are the key properties of 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid?
7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 381.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 171800901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).